[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 3-acetamidobenzoate

Systemtic Name: [2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 3-acetamidobenzoate Openeye Name: [2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-2-oxo-ethyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-2-oxoethyl] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-2-keto-ethyl] ester Formula: C17H13ClF3N3O4 MolecularWeight: 415.75103

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C17H13ClF3N3O4/c1-9(25)23-12-4-2-3-10(5-12)16(27)28-8-14(26)24-15-13(18)6-11(7-22-15)17(19,20)21/h2-7H,8H2,1H3,(H,23,25)(H,22,24,26)